N-benzyl-1-ethyl-3-methylpyrazolo[3,4-b]quinolin-4-amine;hydrochloride

C20H21ClN4 — CID 70087461

IUPACN-benzyl-1-ethyl-3-methylpyrazolo[3,4-b]quinolin-4-amine;hydrochloride
SMILESCCn1nc(C)c2c(NCc3ccccc3)c3ccccc3nc21.Cl
InChIInChI=1S/C20H20N4.ClH/c1-3-24-20-18(14(2)23-24)19(16-11-7-8-12-17(16)22-20)21-13-15-9-5-4-6-10-15;/h4-12H,3,13H2,1-2H3,(H,21,22);1H
InChIKeyBHKIDNFKKCFVSL-UHFFFAOYSA-N
MW352.87 g/mol
LogP4.95
Rot. Bonds4

About N-benzyl-1-ethyl-3-methylpyrazolo[3,4-b]quinolin-4-amine;hydrochloride

N-benzyl-1-ethyl-3-methylpyrazolo[3,4-b]quinolin-4-amine;hydrochloride (PubChem CID 70087461) has the molecular formula C20H21ClN4 and a molecular weight of 352.87 g/mol. Its IUPAC name is N-benzyl-1-ethyl-3-methylpyrazolo[3,4-b]quinolin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-benzyl-1-ethyl-3-methylpyrazolo[3,4-b]quinolin-4-amine;hydrochloride
PubChem CID70087461
Molecular FormulaC20H21ClN4
Molecular Weight352.87 g/mol
Exact Mass352.15
IUPAC NameN-benzyl-1-ethyl-3-methylpyrazolo[3,4-b]quinolin-4-amine;hydrochloride
SMILESCCn1nc(C)c2c(NCc3ccccc3)c3ccccc3nc21.Cl
InChIInChI=1S/C20H20N4.ClH/c1-3-24-20-18(14(2)23-24)19(16-11-7-8-12-17(16)22-20)21-13-15-9-5-4-6-10-15;/h4-12H,3,13H2,1-2H3,(H,21,22);1H
InChIKeyBHKIDNFKKCFVSL-UHFFFAOYSA-N
XLogP4.95
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-ethyl-3-methylpyrazolo[3,4-b]quinolin-4-amine;hydrochloride?
The IUPAC name of N-benzyl-1-ethyl-3-methylpyrazolo[3,4-b]quinolin-4-amine;hydrochloride (CID 70087461) is N-benzyl-1-ethyl-3-methylpyrazolo[3,4-b]quinolin-4-amine;hydrochloride.
What is the SMILES notation for N-benzyl-1-ethyl-3-methylpyrazolo[3,4-b]quinolin-4-amine;hydrochloride?
The canonical SMILES for N-benzyl-1-ethyl-3-methylpyrazolo[3,4-b]quinolin-4-amine;hydrochloride is CCn1nc(C)c2c(NCc3ccccc3)c3ccccc3nc21.Cl.
What is the InChIKey of N-benzyl-1-ethyl-3-methylpyrazolo[3,4-b]quinolin-4-amine;hydrochloride?
The InChIKey is BHKIDNFKKCFVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4.ClH/c1-3-24-20-18(14(2)23-24)19(16-11-7-8-12-17(16)22-20)21-13-15-9-5-4-6-10-15;/h4-12H,3,13H2,1-2H3,(H,21,22);1H.
What are the key properties of N-benzyl-1-ethyl-3-methylpyrazolo[3,4-b]quinolin-4-amine;hydrochloride?
N-benzyl-1-ethyl-3-methylpyrazolo[3,4-b]quinolin-4-amine;hydrochloride has a molecular weight of 352.87 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-ethyl-3-methylpyrazolo[3,4-b]quinolin-4-amine;hydrochloride is sourced from PubChem (CID 70087461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).